TL;DR: OPC 8490 free base (CAS 106752-32-3) is a chemical compound with molecular formula C24H27N3O3 and molecular weight 405.20523 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[4-(4-oxo-4-phenylbutyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
Also Known As: OPC 8490 free base, Piperazine, 1-(4-oxo-4-phenylbutyl)-4-[(1,2,3,4-tetrahydro-2-oxo-6-quinolinyl)carbonyl]-, 6-[4-(4-oxo-4-phenyl-butyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one, 6-[4-(4-oxo-4-phenylbutyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one, T33807L
| Molecular Formula | C24H27N3O3 |
| Molecular Weight | 405.20523 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.20523 Da |
| Heavy Atoms | 30 |
| Complexity | 623.0 |
| SMILES | C1CC(=O)NC2=C1C=C(C=C2)C(=O)N3CCN(CC3)CCCC(=O)C4=CC=CC=C4 |
| InChIKey | VCMKKOPAGZSVOM-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for OPC 8490 free base. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for OPC 8490 free base. Following Lipinski's Rule of Five, OPC 8490 free base has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of OPC 8490 free base is 106752-32-3.
The molecular formula of OPC 8490 free base is C24H27N3O3.
The molecular weight of OPC 8490 free base is 405.20523 g/mol.
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